Model for vacancy-induced d${}^0$ ferromagnetism in oxide compounds

Abstract

We propose a model with few parameters, for vacancy-induced ferromagnetism based on a correlated model for anions (oxygen orbitals) with random potentials that represent cation vacancies. There is a range of potential strength for which moments appear on oxygen sites neighboring the vacancies. By using techniques which allow us to treat the randomness exactly, we calculate the magnetic couplings between the total moment around each vacancy, the Curie temperature and dynamical correlations as a function of the effective stren gth of the vacancy potential and doping properties, the density of vacancies, as well as the correlation and band width of the host. For physically reasonable parameters this predicts Curie temperatures well above room temperature for small concentrations of vacancies and appropriate parameters. We disc uss our results in relation to questions of stability and reproducibility raised in experiments. To circumvent the difficulties of controlling intrinsic defects, we propose specific non-magnetic host doping that could be, for example, substituted for cations in HfO${}_2$ or ZrO${}_2$.

4 figures + tex files. Accepted for publication in Physical Review Letters. Note that the title has changed and the text is slightly modified

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• Electron doping and magnetic moment formation in N- and C-doped MgO
• Is room temperature ferromagnetism possible in K-doped SnO2?
• Ferromagnetism in Nitrogen-doped MgO
• d0 Ferromagnetism in Ag-doped Monoclinic ZrO2 Compounds
• Magnetic properties of HO2 thin films
• Influence of oxygen vacancy on the electronic structure of HfO${}_2$ film
• Role of vacancies and impurities in the ferromagnetism of semiconducting CaB6
• d0 Ferromagnetism in Li-doped ZnO Compounds
• Physical properties and band structure of reactive molecular beam epitaxy grown oxygen engineered HfO${}_{2\pm x}$
• Non-perturbative $J_{pd}$ model and ferromagnetism in dilute magnets
• Nitrogen-induced Ferromagnetism in BaO
• Dynamical properties of a three-dimensional diluted Heisenberg model
• Reconsidering the possibility of room temperature ferromagnetism in Mn doped Zirconium oxide
• Spin-polarized surface state in Li-doped SnO${}_2$(001)
• On the reliability of recent Monte Carlo studies of dilute systems of localized spins interacting with itinerant carriers
• Nano-pattern induced ferromagnetism in strongly correlated electrons
• Room Temperature d${}^0$ Ferromagnetism in Carbon Doped LaH${}_3$: Insights From Density Functional Theory Simulations
• RKKY couplings in the Lieb lattice: flat-band induced frustration